HMDB0301650 RDKit 3D 7-[(2R,4aR,5S,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-octahydrocyclopenta... 140144 0 0 0 0 0 0 0 0999 V2000 19.8425 2.9010 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2737 2.1179 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8186 2.5888 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0693 2.2996 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6336 2.6933 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5218 4.0602 0.0804 F 0 0 0 0 0 0 0 0 0 0 0 0 15.1245 2.4306 -1.4133 F 0 0 0 0 0 0 0 0 0 0 0 0 14.7632 1.9291 0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2242 2.1468 2.1139 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8864 0.4355 0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5453 -0.2007 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5496 0.1836 1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5016 1.6762 1.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1514 2.0831 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8731 0.8991 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5340 0.8420 -1.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1277 -0.2698 0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2186 -1.5403 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0896 -2.3276 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9933 -1.8515 -1.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9977 -0.9828 -0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9037 -0.5486 -1.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8693 0.2290 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 0.6425 -1.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 1.7783 -2.0376 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 -0.5061 -2.0811 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 -2.0224 -1.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 -1.9226 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 -1.5770 0.1884 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -2.4839 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0737 -3.5393 -1.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8556 -2.2717 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 -3.2406 -1.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -3.2544 -1.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 -2.1268 -2.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 -1.0550 -2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8798 -2.0877 -2.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2645 -0.7542 -2.9867 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8606 -2.6355 -1.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7898 -1.9439 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8645 -4.1141 -1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2625 -2.2848 -2.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2642 -2.7605 -1.4718 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7475 -2.3106 -2.2067 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.6483 -2.6014 -3.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0311 -0.6480 -1.9221 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0394 -3.1656 -1.5374 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1064 -2.8466 0.1057 P 0 0 0 0 0 5 0 0 0 0 0 0 -12.1438 -3.7532 0.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5845 -3.1192 0.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4794 -1.2174 0.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8263 -1.1387 0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2301 0.3064 1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0455 1.0571 -0.1181 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1935 1.7424 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2200 3.0119 0.1957 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3205 3.4811 1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6837 4.7064 1.4664 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.8376 5.0348 0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6306 6.1634 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2997 7.2686 1.7098 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.7329 6.1702 0.1193 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.0431 5.1192 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2899 4.0084 -0.7161 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1746 3.9702 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2919 0.8138 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4832 1.5096 0.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6967 0.3557 1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1723 -0.8419 1.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7696 -0.7131 3.3943 P 0 0 0 0 0 5 0 0 0 0 0 0 -15.0042 -1.6787 4.2625 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5639 0.8517 4.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3970 -1.1709 3.4609 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4615 2.3060 0.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9461 2.9980 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5821 2.4517 -1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4644 3.9601 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2030 1.0340 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8514 2.3488 1.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4764 2.0594 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9120 3.6871 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2542 1.2349 -0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6242 2.8644 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6502 2.6504 2.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5444 0.2054 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2723 -0.1161 1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7470 -1.2899 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1992 0.2185 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7654 -0.2597 2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5062 2.0467 2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4153 2.2122 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2202 3.0289 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4541 -0.2791 1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9798 -1.3772 -0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 -2.2692 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 -3.3061 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6299 -2.7943 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3209 -1.4187 -2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3986 -2.7694 -1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3685 -0.1277 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3994 -1.5914 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3392 0.0499 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4789 -1.4573 -1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4498 -0.3653 0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 1.0978 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 -2.8005 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 -2.3774 -0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -2.9276 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 -1.2073 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -0.7141 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1381 -1.2302 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -2.5503 0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 -4.2565 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 -3.0607 -2.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2774 -4.1526 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0326 -2.6537 -3.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2552 -0.2287 -2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6662 -1.2862 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -2.6646 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8714 -1.3051 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 -4.4587 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9178 -4.5145 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4703 -4.6068 -2.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3550 -1.2009 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2706 -2.7826 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7994 -0.1959 -2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4610 -4.0745 1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3880 -1.4905 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0883 -1.8131 1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6096 0.6602 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2583 1.8269 -1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4228 2.9946 1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8676 7.1712 2.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4890 8.2334 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9551 5.2329 -1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3424 -0.0214 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1885 0.9810 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8253 1.1802 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4421 1.3345 4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4610 -2.0737 3.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 39 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 2 0 60 61 1 0 60 62 1 0 62 63 2 0 63 64 1 0 64 65 2 0 55 66 1 0 66 67 1 0 66 68 1 0 68 69 1 0 69 70 1 0 70 71 2 0 70 72 1 0 70 73 1 0 13 74 1 0 74 8 1 0 17 12 1 0 68 53 1 0 65 56 1 0 65 59 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 2 79 1 0 3 80 1 0 3 81 1 0 4 82 1 0 4 83 1 0 9 84 1 0 10 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 22102 1 0 22103 1 0 23104 1 0 23105 1 0 27106 1 0 27107 1 0 28108 1 0 28109 1 0 29110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 37116 1 0 38117 1 0 40118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 46126 1 0 50127 1 0 52128 1 0 52129 1 0 53130 1 0 55131 1 0 57132 1 0 61133 1 0 61134 1 0 63135 1 0 66136 1 0 67137 1 0 68138 1 0 72139 1 0 73140 1 0 M END